Calcium in PDB 2vn6: The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner

The structure of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner, PDB code: 2vn6 was solved by B.A.Pinheiro, J.A.M.Prates, M.R.Proctor, H.J.Gilbert, G.J.Davies, V.A.Money, C.Martinez-Fleites, E.A.Bayer, C.M.G.A.Fontes, H.P.Fierobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.291, 60.476, 100.725, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21

The binding sites of Calcium atom in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner (pdb code 2vn6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner, PDB code: 2vn6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1066 b:10.0 occ:1.00 OD1 B:ASN40 2.4 12.2 1.0 O B:GLU44 2.4 11.1 1.0 OD1 B:ASP38 2.4 10.3 1.0 OD1 B:ASP42 2.4 11.9 1.0 O B:HOH2069 2.4 11.6 1.0 OD2 B:ASP49 2.5 8.6 1.0 OD1 B:ASP49 2.5 9.4 1.0 CG B:ASP49 2.8 8.6 1.0 CG B:ASP42 3.3 13.3 1.0 CG B:ASN40 3.4 13.5 1.0 CG B:ASP38 3.4 11.9 1.0 C B:GLU44 3.5 11.1 1.0 OD2 B:ASP42 3.7 13.4 1.0 ND2 B:ASN40 3.9 15.0 1.0 CA B:ASP38 3.9 11.1 1.0 CB B:ASP38 4.1 10.9 1.0 N B:GLU44 4.2 12.3 1.0 N B:ASP42 4.3 14.4 1.0 C B:ASP38 4.3 11.9 1.0 CA B:GLU44 4.3 12.2 1.0 CB B:ASP49 4.3 8.6 1.0 N B:ASN40 4.4 14.0 1.0 OD2 B:ASP38 4.4 11.8 1.0 N B:VAL45 4.4 10.2 1.0 CA B:VAL45 4.5 10.0 1.0 N B:VAL39 4.5 12.2 1.0 CB B:ASP42 4.5 13.8 1.0 CB B:GLU44 4.6 12.6 1.0 OD1 B:ASN46 4.6 9.2 1.0 N B:LEU41 4.6 15.0 1.0 CB B:ASN40 4.7 14.3 1.0 CA B:ASP42 4.8 13.8 1.0 N B:ASN46 4.8 9.2 1.0 CA B:ASN40 4.8 14.5 1.0 C B:ASN40 4.9 14.7 1.0 N B:ASN43 4.9 13.8 1.0 O B:ASP38 4.9 12.3 1.0 O B:LEU37 4.9 11.5 1.0 C B:ASP42 4.9 13.7 1.0 N B:ASP49 4.9 8.9 1.0

Calcium binding site 2 out of 2 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1067 b:8.7 occ:1.00 OD1 B:ASN9 2.3 11.4 1.0 O B:ASN13 2.4 9.7 1.0 O B:HOH2030 2.4 10.6 1.0 OD1 B:ASP11 2.4 9.4 1.0 OD1 B:ASP7 2.4 11.3 1.0 OD2 B:ASP18 2.4 8.6 1.0 OD1 B:ASP18 2.5 8.7 1.0 CG B:ASP18 2.8 8.1 1.0 CG B:ASP11 3.3 10.0 1.0 CG B:ASN9 3.4 11.2 1.0 C B:ASN13 3.4 10.1 1.0 CG B:ASP7 3.6 10.2 1.0 OD2 B:ASP11 3.7 10.6 1.0 ND2 B:ASN9 4.0 11.1 1.0 CA B:ASP7 4.2 9.2 1.0 N B:ASN13 4.2 10.1 1.0 N B:ASP11 4.2 11.0 1.0 N B:ASN9 4.2 10.8 1.0 CA B:ASN13 4.2 10.4 1.0 CB B:ASP18 4.3 8.6 1.0 N B:VAL14 4.4 10.4 1.0 C B:ASP7 4.4 9.5 1.0 CB B:ASP7 4.4 9.9 1.0 CB B:ASP11 4.4 10.6 1.0 OD2 B:ASP7 4.4 11.2 1.0 CA B:VAL14 4.5 10.0 1.0 N B:TYR8 4.5 9.9 1.0 CB B:ASN13 4.5 10.2 1.0 N B:ASN10 4.6 11.5 1.0 CB B:ASN9 4.6 10.2 1.0 OD1 B:ASP15 4.6 10.8 1.0 CA B:ASP11 4.7 10.7 1.0 CA B:ASN9 4.7 10.6 1.0 N B:GLY12 4.7 10.0 1.0 C B:ASN9 4.8 11.4 1.0 N B:ASP15 4.9 9.4 1.0 C B:ASP11 4.9 10.6 1.0 O B:ASP7 4.9 9.7 1.0

B.A.Pinheiro, M.R.Proctor, C.Martinez-Fleites, J.A.M.Prates, V.A.Money, G.J.Davies, E.A.Bayer, C.M.G.A.Fontes, H.P.Fierobe, H.J.Gilbert. The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner. J.Biol.Chem. V. 283 18422 2008.
ISSN: ISSN 0021-9258
PubMed: 18445585
DOI: 10.1074/JBC.M801533200